2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine

C16H14F3N — CID 43198708

IUPAC2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H14F3N/c17-12-7-13(18)15(14(19)8-12)16(20)11-5-4-9-2-1-3-10(9)6-11/h4-8,16H,1-3,20H2
InChIKeyGHMJYWRJNWLPDD-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.64
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine

2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine (PubChem CID 43198708) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine
PubChem CID43198708
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H14F3N/c17-12-7-13(18)15(14(19)8-12)16(20)11-5-4-9-2-1-3-10(9)6-11/h4-8,16H,1-3,20H2
InChIKeyGHMJYWRJNWLPDD-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115569
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanamine
CID 43115579
(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 79724772
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 63048762
(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198710
(4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43124899
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115602
phenyl-(2,4,6-trifluorophenyl)methanamine
CID 43198681

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine (CID 43198708) is 2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine is NC(c1ccc2c(c1)CCC2)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is GHMJYWRJNWLPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c17-12-7-13(18)15(14(19)8-12)16(20)11-5-4-9-2-1-3-10(9)6-11/h4-8,16H,1-3,20H2.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine?
2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 277.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 43198708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).